SCHEMBL6069731

SCHEMBL6069731

CC(c1cc2c(cc1Cl)C1CCCC1C(=S)N2)N(Cc1cccc(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 9/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RIPK1 Q13546 1/20 0.34
WDR5 P61964 1/20 0.33
TACR1 P25103 3/20 0.31
PTGES O14684 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
CTSL P07711 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6069638 0.91 GHSR (0.36) GHSRALDH1A1GAAL3MBTL1RIPK1
SCHEMBL6069720 0.90 GHSR (0.36) GHSRALDH1A1GAAL3MBTL1RIPK1
SCHEMBL6069534 0.83 RIPK1 (0.34) GHSRALDH1A1GAAL3MBTL1RIPK1
SCHEMBL6069793 0.82 GHSR (0.39) GHSRALDH1A1GAAL3MBTL1RIPK1
SCHEMBL6069733 0.82 GHSR (0.35) GHSRALDH1A1GAAL3MBTL1RIPK1
SCHEMBL6069537 0.81 NOS3 (0.49) GHSRALDH1A1GAAL3MBTL1RIPK1
SCHEMBL6069723 0.79 GHSR (0.37) GHSRRIPK1TACR1NOS3NOS1
SCHEMBL6070003 0.79 TACR1 (0.34) GHSRALDH1A1GAAL3MBTL1RIPK1
SCHEMBL6069767 0.75 RIPK1 (0.34) GHSRALDH1A1GAAL3MBTL1RIPK1
SCHEMBL6069203 0.74 NOS3 (0.51) GHSRALDH1A1GAAL3MBTL1RIPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067667-B2 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-27 US disclosed
US-20040127712-A1 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors JAROCH STEFAN (DE) 2004-07-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040127712-A1 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors NOS3, NOS1, NOS2 GHSR 4522/4885ALDH1A1 260/4885GAA 503/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.